2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol

C222H336N16O24S9 — CID 161444609

IUPAC2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1ccccc1C1CCCNC1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(O)C1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.CC(C)(C)c1ccccc1S(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CCC(=O)c1ccccc1C(C)(C)C.CCS(=O)(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C16H24N2O3S.C16H24N2O.C16H25N.C16H24O.C15H24N2O2S.2C15H23N.C14H22N2O2S.C14H21NO3S.C14H21NO2S.C13H19NO.C13H18O.C12H19NO2S.C12H18O2S.C11H16O2S.C10H15NO2S/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)19(17,18)15-9-8-11(16)10-15;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5;1-5-15(13,14)11-9-7-6-8-10(11)12(2,3)4;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;5-8H,9-12H2,1-4H3;4-5,8-9,12,16H,6-7,10-11H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,11,16H,8-10H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,1-5H3;6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyVZSPLVZUTDGKOZ-UHFFFAOYSA-N
MW3901.82 g/mol
LogP42.58
Rot. Bonds25

About 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol

2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 161444609) has the molecular formula C222H336N16O24S9 and a molecular weight of 3901.82 g/mol. Its IUPAC name is 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID161444609
Molecular FormulaC222H336N16O24S9
Molecular Weight3901.82 g/mol
Exact Mass3898.30
IUPAC Name2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1ccccc1C1CCCNC1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(O)C1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.CC(C)(C)c1ccccc1S(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CCC(=O)c1ccccc1C(C)(C)C.CCS(=O)(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1
InChIInChI=1S/C16H24N2O3S.C16H24N2O.C16H25N.C16H24O.C15H24N2O2S.2C15H23N.C14H22N2O2S.C14H21NO3S.C14H21NO2S.C13H19NO.C13H18O.C12H19NO2S.C12H18O2S.C11H16O2S.C10H15NO2S/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)19(17,18)15-9-8-11(16)10-15;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5;1-5-15(13,14)11-9-7-6-8-10(11)12(2,3)4;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;5-8H,9-12H2,1-4H3;4-5,8-9,12,16H,6-7,10-11H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,11,16H,8-10H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,1-5H3;6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13)
InChIKeyVZSPLVZUTDGKOZ-UHFFFAOYSA-N
XLogP42.58
TPSA505.99 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003901.82
LogP ≤ 542.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol (CID 161444609) is 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol is CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1ccccc1C1CCCNC1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(O)C1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.CC(C)(C)c1ccccc1S(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CCC(=O)c1ccccc1C(C)(C)C.CCS(=O)(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1.
What is the InChIKey of 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VZSPLVZUTDGKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.C16H24N2O.C16H25N.C16H24O.C15H24N2O2S.2C15H23N.C14H22N2O2S.C14H21NO3S.C14H21NO2S.C13H19NO.C13H18O.C12H19NO2S.C12H18O2S.C11H16O2S.C10H15NO2S/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-14(2,3)12-6-4-5-7-13(12)19(17,18)15-9-8-11(16)10-15;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5;1-5-15(13,14)11-9-7-6-8-10(11)12(2,3)4;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;5-8H,9-12H2,1-4H3;4-5,8-9,12,16H,6-7,10-11H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-7,11,16H,8-10H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,1-5H3;6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol?
2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 3901.82 g/mol, XLogP of 42.58, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 161444609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).